Structure of PDB 1esl Chain A Binding Site BS01

Receptor Information
>1esl Chain A (length=157) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYW
IGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKD
VGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSG
LKCEQIV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1esl Chain A Residue 163 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1esl Insight into E-selectin/ligand interaction from the crystal structure and mutagenesis of the lec/EGF domains.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E80 N82 N105 D106
Binding residue
(residue number reindexed from 1)		E80 N82 N105 D106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1esl, PDBe:1esl, PDBj:1esl
PDBsum1esl
PubMed7509040
UniProtP16581|LYAM2_HUMAN E-selectin (Gene Name=SELE)

[Back to BioLiP]